In:
Angewandte Chemie International Edition, Wiley, Vol. 58, No. 7 ( 2019-02-11), p. 2011-2016
Abstract:
Despite substantial evidence of short Au⋅⋅⋅H−X contacts derived from a number of X‐ray structures of Au I compounds, the nature of Au I ⋅⋅⋅H bonding in these systems has not been clearly understood. Herein, we present the first spectroscopic evidence for an intramolecular Au I ⋅⋅⋅H + −N hydrogen bond in a [Cl−Au−L] + complex, where L is a protonated N‐heterocyclic carbene. The complex was isolated in the gas phase and characterized with helium‐tagging infrared photodissociation (IRPD) spectra, in which H + −N‐mode‐derived bands evidence the intramolecular Au I ⋅⋅⋅H + −N bond. Quantum chemical calculations reproduce the experimental IRPD spectra and allow to characterize the intramolecular Au⋅⋅⋅H + −N bonding with a short r Au⋅⋅⋅H distance of 2.17 Å and an interaction energy of approximately −10 kcal mol −1 . Various theoretical descriptors of chemical bonding calculated for the Au⋅⋅⋅H + −N interaction provide strong evidence for a hydrogen bond of moderate strength.
Type of Medium:
Online Resource
ISSN:
1433-7851
,
1521-3773
DOI:
10.1002/anie.201811982
Language:
English
Publisher:
Wiley
Publication Date:
2019
detail.hit.zdb_id:
2011836-3
detail.hit.zdb_id:
123227-7